Calcium fumarate
Properties
- Molecular formula
- C4H2CaO4
- Molar mass
- 154.13 g/mol
- Exact mass
- 153.9579 Da
- logP
- -0.67Crippen estimate
- Polar surface area
- 74.6 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
- Double bonds
- EE/Z, in SMILES order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
19855-56-2SMILES
[O-]C(=O)/C=C/C([O-])=O.[Ca+2]InChI
The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.
Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 2-Butenedioic acid (2E)-, calcium salt (1:1)
- Fumaric acid, calcium salt (1:1)
- 2-Butenedioic acid (E)-, calcium salt (1:1)
Work with Calcium fumarate
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Fumaric acid110-17-8Free acid
Maleic acid110-16-7Free acid, stereo not defined
Poly(maleic acid)26099-09-2Free acid, stereo not defined
Iron(II) fumarate141-01-5Salt
Enalapril maleate76095-16-4Salt, diastereomer
Pyrilamine maleate59-33-6Salt, stereo not defined
Chlorpheniramine maleate113-92-8Salt, stereo not defined
Timolol maleate26921-17-5Salt, diastereomer
Sodium fumarate5873-57-4Salt
Clemastine fumarate14976-57-9Salt
(±)-Brompheniramine maleate980-71-2Salt, stereo not defined
Dexchlorpheniramine maleate2438-32-6Salt, diastereomer
Similar compounds
Calcium sorbate7492-55-961 % similar
Dibutyltin maleate78-04-643 % similar
Potassium sorbate24634-61-542 % similar
2,4-Hexadienoic acid, potassium salt (1:1)590-00-142 % similar
Sodium sorbate7757-81-542 % similar
Calcium carbonate471-34-142 % similar
Calcium oxalate (1:1)563-72-442 % similar
Potassium acrylate10192-85-538 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.